Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0T3ED
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| Former ID |
DNC008685
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| Drug Name |
NSC-666292
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| Synonyms |
CHEMBL495565; BDBM50265440
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|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C18H16ClN5
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| Canonical SMILES |
CC1=NC2=C(C=C1CCN3C=CN=C3)C(=C(C=C2)Cl)N4C=CN=C4
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| InChI |
1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3
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| InChIKey |
IYLACPJLCQDSFP-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Estradiol biosynthesis II | ||||
| Estradiol biosynthesis I | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Endogenous sterols | |||
| WikiPathways | Metapathway biotransformation | |||
| Tryptophan metabolism | ||||
| Oxidation by Cytochrome P450 | ||||
| Ovarian Infertility Genes | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| FSH signaling pathway | ||||
| Integrated Breast Cancer Pathway | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50. | |||
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